iterations/neb0_image02_iter49_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.368487622224E+03 0.36849E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.469007859988E+01 -0.36380E+03 -0.34902E+03 834 0.195E+02
DAV: 3 -0.956728171458E+02 -0.10036E+03 -0.10003E+03 680 0.117E+02
DAV: 4 -0.100199134754E+03 -0.45263E+01 -0.45160E+01 696 0.283E+01
DAV: 5 -0.100286445474E+03 -0.87311E-01 -0.87269E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.916378440686E+02 0.86486E+01 -0.31044E+01 704 0.300E+01 0.117E+01
DAV: 7 -0.908136194993E+02 0.82422E+00 -0.18464E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904256583304E+02 0.38796E+00 -0.55354E-01 688 0.425E+00 0.170E+00
DAV: 9 -0.903329970760E+02 0.92661E-01 -0.14206E-01 704 0.168E+00 0.435E-01
DAV: 10 -0.903262637900E+02 0.67333E-02 -0.46111E-02 712 0.126E+00 0.318E-01
DAV: 11 -0.903300550125E+02 -0.37912E-02 -0.73147E-03 605 0.484E-01 0.142E-01
DAV: 12 -0.903333966829E+02 -0.33417E-02 -0.65216E-03 621 0.444E-01 0.126E-01
DAV: 13 -0.903361760454E+02 -0.27794E-02 -0.12768E-03 920 0.309E-01 0.761E-02
DAV: 14 -0.903393644179E+02 -0.31884E-02 -0.13434E-03 640 0.178E-01 0.548E-02
DAV: 15 -0.903417210514E+02 -0.23566E-02 -0.38174E-04 666 0.115E-01 0.393E-02
DAV: 16 -0.903431299672E+02 -0.14089E-02 -0.60070E-04 656 0.136E-01 0.338E-02
DAV: 17 -0.903439872865E+02 -0.85732E-03 -0.18239E-04 853 0.931E-02 0.176E-02
DAV: 18 -0.903440908356E+02 -0.10355E-03 -0.31766E-05 720 0.324E-02 0.105E-02
DAV: 19 -0.903443557435E+02 -0.26491E-03 -0.40613E-05 561 0.326E-02 0.425E-03
DAV: 20 -0.903444074762E+02 -0.51733E-04 -0.42075E-06 480 0.119E-02 0.414E-03
DAV: 21 -0.903444635138E+02 -0.56038E-04 -0.75188E-06 409 0.158E-02 0.182E-03
DAV: 22 -0.903444802028E+02 -0.16689E-04 -0.43459E-06 477 0.904E-03 0.255E-03
DAV: 23 -0.903444816222E+02 -0.14194E-05 -0.56302E-07 536 0.461E-03
1 F= -.90344482E+02 E0= -.90350143E+02 d E =0.169828E-01